(2S)-4-(2,5-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: (2S)-4-[(2,5-dimethylphenyl)thio]-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: (2S)-4-(2,5-dimethylphenyl)sulfanyl-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: (2S)-2-acetimidoyl-4-[(2,5-dimethylphenyl)thio]-3-keto-butyronitrile Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C14H16N2OS/c1-9-4-5-10(2)14(6-9)18-8-13(17)12(7-15)11(3)16/h4-6,12,16H,8H2,1-3H3/t12-/m1/s1